4-methyl-3-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoic acid

Systemtic Name: 4-methyl-3-[3-(1,2,3,4-tetrazol-1-yl)propanoylamino]benzoic acid Openeye Name: 4-methyl-3-[3-(tetrazol-1-yl)propanoylamino]benzoic acid CAS Name: 4-methyl-3-[[1-oxo-3-(1-tetrazolyl)propyl]amino]benzoic acid IUPAC Name: 4-methyl-3-[3-(tetrazol-1-yl)propanoylamino]benzoic acid Traditional Name: 4-methyl-3-[3-(tetrazol-1-yl)propanoylamino]benzoic acid Formula: C12H13N5O3 MolecularWeight: 275.26332

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCN2C=NN=N2

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)O)NC(=O)CCN2C=NN=N2

InChI

InChI=1S/C12H13N5O3/c1-8-2-3-9(12(19)20)6-10(8)14-11(18)4-5-17-7-13-15-16-17/h2-3,6-7H,4-5H2,1H3,(H,14,18)(H,19,20)